NP-MRD: Showing NP-Card for (1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate (NP0253183)

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Record Information

Version

2.0

Created at

2022-09-07 16:58:44 UTC

Updated at

2022-09-07 16:58:44 UTC

NP-MRD ID

NP0253183

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate

Description

(1R,2R,3aS,6S,8R,9aS,10aR)-7'-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-3,3a,4,6,7,8,9,9a,10,10a-decahydro-1H-spiro[cyclopenta[b]quinolizine-2,3'-indole]-8-yl acetate belongs to the class of organic compounds known as delta amino acids and derivatives. Delta amino acids and derivatives are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom. (1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate is found in Penicillium waksmanii. Based on a literature review very few articles have been published on (1R,2R,3aS,6S,8R,9aS,10aR)-7'-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-3,3a,4,6,7,8,9,9a,10,10a-decahydro-1H-spiro[cyclopenta[b]quinolizine-2,3'-indole]-8-yl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072218582D          

 39 44  0  0  1  0            999 V2000
    3.4310    1.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9568    2.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9694    0.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1847    0.2007    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9821   -0.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5642    0.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 39  1  0  0  0  0
 22 39  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072218582D          

 39 44  0  0  1  0            999 V2000
    3.4310    1.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0927   -0.4782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3866    0.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7987   -1.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0140   -2.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9748   -1.2077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7595   -0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0236   -0.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6673   -0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6223   -1.3130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4032   -0.1163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2270   -0.1613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8541    0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635    1.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4185    1.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0214    0.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6695    1.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4054    0.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4504    0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  5  1  6  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  1  0  0  0
 20 21  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  1  0  0  0
  3 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 29  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 28 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 27 39  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0253183

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN[C@@]12C[C@]3(C(O)=NC4=C(C=CC=C34)C(=O)[C@H]3OC3(C)C)[C@](C)(C=O)[C@H]1C[C@H]1C[C@@H](C[C@H](C)N1C2)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H39N3O6/c1-16-10-19(38-17(2)35)11-18-12-22-28(5,15-34)30(13-29(22,31-6)14-33(16)18)21-9-7-8-20(23(21)32-26(30)37)24(36)25-27(3,4)39-25/h7-9,15-16,18-19,22,25,31H,10-14H2,1-6H3,(H,32,37)/t16-,18+,19+,22+,25+,28+,29+,30-/m0/s1

> <INCHI_KEY>
ODTKFWRIIHNFDF-VICBJUCRSA-N

> <FORMULA>
C30H39N3O6

> <MOLECULAR_WEIGHT>
537.657

> <EXACT_MASS>
537.283885988

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
58.769292952056404

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,3aS,6S,8R,9aS,10aR)-7'-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-3,3a,4,6,7,8,9,9a,10,10a-decahydro-1H-spiro[cyclopenta[b]quinolizine-2,3'-indole]-8-yl acetate

> <JCHEM_LOGP>
-0.4042939226608791

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
16.252418393279683

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.0647722794424554

> <JCHEM_PKA_STRONGEST_BASIC>
9.87767200511096

> <JCHEM_POLAR_SURFACE_AREA>
120.83000000000001

> <JCHEM_REFRACTIVITY>
146.03540000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,3aS,6S,8R,9aS,10aR)-7'-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3H-spiro[cyclopenta[b]quinolizine-2,3'-indole]-8-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       6.404   3.105   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       5.438   1.906   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       5.993   0.469   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.080   1.561   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       8.568   1.165   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       9.655   2.257   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.253   3.743   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.143   1.861   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.545   0.375   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      13.033  -0.021   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      14.120   1.071   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      15.608   0.676   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      13.718   2.557   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      10.458  -0.717   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.970  -0.321   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.883  -1.413   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.395  -1.017   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.105  -1.859   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.019  -2.950   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.077  -3.054   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.528  -4.493   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.906  -0.893   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.455   0.546   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.358  -2.332   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.760  -3.818   0.000  0.00  0.00           O+0
HETATM   26  N   UNK     0       1.820  -2.254   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       1.418  -0.768   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.044  -0.072   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.246  -0.913   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -1.162  -2.451   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -2.619  -0.217   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -4.157  -0.301   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -3.461   1.073   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -4.412   2.284   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -2.648   2.380   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.040   1.466   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.250   2.308   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.623   1.612   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.707   0.074   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   17   23                                             
CONECT    4    3    5                                                       
CONECT    5    4    6   15                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    9   15                                                       
CONECT   15   14    5   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16    3   18                                                  
CONECT   18   17   19   20   22                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20                                                            
CONECT   22   18   23   24   39                                             
CONECT   23   22    3                                                       
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   39                                                  
CONECT   28   27   29   36                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31   33                                                       
CONECT   33   32   31   34   35                                             
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   28   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   27   22                                                  
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

View in JSmol

Synonyms

Value	Source
(1R,2R,3AS,6S,8R,9as,10ar)-7'-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-3,3a,4,6,7,8,9,9a,10,10a-decahydro-1H-spiro[cyclopenta[b]quinolizine-2,3'-indole]-8-yl acetic acid	Generator

Chemical Formula

C₃₀H₃₉N₃O₆

Average Mass

537.6570 Da

Monoisotopic Mass

537.28389 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CN[C@@]12C[C@]3(C(O)=NC4=C(C=CC=C34)C(=O)[C@H]3OC3(C)C)[C@](C)(C=O)[C@H]1C[C@H]1C[C@@H](C[C@H](C)N1C2)OC(C)=O

InChI Identifier

InChI=1S/C30H39N3O6/c1-16-10-19(38-17(2)35)11-18-12-22-28(5,15-34)30(13-29(22,31-6)14-33(16)18)21-9-7-8-20(23(21)32-26(30)37)24(36)25-27(3,4)39-25/h7-9,15-16,18-19,22,25,31H,10-14H2,1-6H3,(H,32,37)/t16-,18+,19+,22+,25+,28+,29+,30-/m0/s1

InChI Key

ODTKFWRIIHNFDF-VICBJUCRSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Penicillium waksmanii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as delta amino acids and derivatives. Delta amino acids and derivatives are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Delta amino acids and derivatives

Alternative Parents

Substituents

Delta amino acid or derivatives
Quinolizidine
Quinolizine
Indole or derivatives
Dihydroindole
Aryl alkyl ketone
Aryl ketone
3-aminopiperidine
Aralkylamine
Oxirane carboxylic acid or derivatives
Piperidine
Benzenoid
Vinylogous amide
Tertiary aliphatic amine
Tertiary amine
Secondary carboxylic acid amide
Carboxamide group
Carboxylic acid ester
Lactam
Ketone
Secondary amine
Organoheterocyclic compound
Azacycle
Oxacycle
Dialkyl ether
Monocarboxylic acid or derivatives
Secondary aliphatic amine
Oxirane
Ether
Aldehyde
Organopnictogen compound
Organic oxide
Organonitrogen compound
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic nitrogen compound
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

27023220

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

24740289

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate (NP0253183)

MOL for NP0253183 ((1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate)

3D MOL for NP0253183 ((1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate)

3D SDF for NP0253183 ((1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate)

3D-SDF for NP0253183 ((1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate)

PDB for NP0253183 ((1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate)

3D PDB for NP0253183 ((1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate)

SMILES for NP0253183 ((1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate)

INCHI for NP0253183 ((1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate)

Structure for NP0253183 ((1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate)

3D Structure for NP0253183 ((1r,2r,3as,6s,8r,9as,10ar)-7'-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1-formyl-2'-hydroxy-1,6-dimethyl-3a-(methylamino)-4,6,7,8,9,9a,10,10a-octahydro-3h-spiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl acetate)